Compile Data Set for Download or QSAR

Found 686 hits with Last Name = 'goto' and Initial = 'y'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102398 (US8536192, I-39) Show SMILES CN(C)c1ccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27| Show InChI InChI=1S/C29H33N3O5/c1-31(2)19-8-6-18(7-9-19)30-27(35)20-14-29(36)22-13-17-5-10-21(33)25-23(17)28(29,26(37-25)24(20)34)11-12-32(22)15-16-3-4-16/h5-10,16,20,22,26,33,36H,3-4,11-15H2,1-2H3,(H,30,35)/t20?,22-,26+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.330	-54.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102422 (US8536192, I-289) Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34FN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.470	-53.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102415 (US8536192, I-244) Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34ClN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.560	-52.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503606 (CHEMBL4462756) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2cc(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H26N2O5/c30-19-6-4-14-10-20-27(33)11-17-16-5-3-15(25(31)32)9-18(16)28-22(17)24-26(27,21(14)23(19)34-24)7-8-29(20)12-13-1-2-13/h3-6,9,13,20,24,28,30,33H,1-2,7-8,10-12H2,(H,31,32)/t20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102416 (US8536192, I-267) Show SMILES Cc1ccc2nc(=O)c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3n2c1)[C@]4(CCN5CC1CC1)c67 |r,TLB:9:10:33.14.13:26.28.27,THB:11:10:33.14.13:26.28.27| Show InChI InChI=1S/C27H27N3O4/c1-14-2-7-20-28-25(32)17-11-27(33)19-10-16-5-6-18(31)23-21(16)26(27,8-9-29(19)13-15-3-4-15)24(34-23)22(17)30(20)12-14/h2,5-7,12,15,19,24,31,33H,3-4,8-11,13H2,1H3/t19-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.840	-51.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503604 (Naldemedine | S-297995) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(no1)-c1ccccc1)=C2O)ccc3O |r,c:43| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102418 (US8536192, I-284) Show SMILES CC(C)(NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45)c1nc(no1)-c1ccccc1 |r,TLB:7:8:30.12.11:23.25.24,THB:9:8:30.12.11:23.25.24| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,20,22,26,37,40H,8-9,12-16H2,1-2H3,(H,34,39)/t20?,22-,26+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	0.910	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503597 (CHEMBL4534307) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(C)=O)=C2O)ccc3O |r,c:27,THB:10:9:17:4.5.6| Show InChI InChI=1S/C22H25NO5/c1-11(24)14-9-22(27)16-8-13-4-5-15(25)19-17(13)21(22,20(28-19)18(14)26)6-7-23(16)10-12-2-3-12/h4-5,12,16,20,25-27H,2-3,6-10H2,1H3/t16-,20+,21+,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503601 (CHEMBL4529950) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccccc1)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,20,24,30-31,33H,6-7,10-14H2,(H,28,32)/t20-,24+,26+,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503611 (CHEMBL4468216) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Cl)c(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H25ClN2O5/c28-20-15(25(32)33)5-4-14-16-10-27(34)18-9-13-3-6-17(31)23-19(13)26(27,7-8-30(18)11-12-1-2-12)24(35-23)22(16)29-21(14)20/h3-6,12,18,24,29,31,34H,1-2,7-11H2,(H,32,33)/t18-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503596 (CHEMBL4561876) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NCc1ccccc1)=C2O)ccc3O |r,c:35,THB:10:9:17:4.5.6| Show InChI InChI=1S/C28H30N2O5/c31-20-9-8-18-12-21-28(34)13-19(26(33)29-14-16-4-2-1-3-5-16)23(32)25-27(28,22(18)24(20)35-25)10-11-30(21)15-17-6-7-17/h1-5,8-9,17,21,25,31-32,34H,6-7,10-15H2,(H,29,33)/t21-,25+,27+,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503604 (Naldemedine | S-297995) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(no1)-c1ccccc1)=C2O)ccc3O |r,c:43| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102418 (US8536192, I-284) Show SMILES CC(C)(NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45)c1nc(no1)-c1ccccc1 |r,TLB:7:8:30.12.11:23.25.24,THB:9:8:30.12.11:23.25.24| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,20,22,26,37,40H,8-9,12-16H2,1-2H3,(H,34,39)/t20?,22-,26+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	1.13	-51.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503599 (CHEMBL4439770) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(C)n[nH]c21)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C22H25N3O3/c1-11-14-9-22(27)16-8-13-4-5-15(26)19-17(13)21(22,20(28-19)18(14)24-23-11)6-7-25(16)10-12-2-3-12/h4-5,12,16,20,26-27H,2-3,6-10H2,1H3,(H,23,24)/t16-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102412 (US8536192, I-229) Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36| Show InChI InChI=1S/C32H39N3O8S/c1-4-35(5-2)44(40,41)20-9-11-24(42-3)22(15-20)33-30(38)21-16-32(39)25-14-19-8-10-23(36)28-26(19)31(32,29(43-28)27(21)37)12-13-34(25)17-18-6-7-18/h8-11,15,18,21,25,29,36,39H,4-7,12-14,16-17H2,1-3H3,(H,33,38)/t21?,25-,29+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503598 (CHEMBL4551066) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)CC)=C2O)ccc3O |r,c:28,THB:10:9:17:4.5.6| Show InChI InChI=1S/C23H27NO5/c1-2-15(25)14-10-23(28)17-9-13-5-6-16(26)20-18(13)22(23,21(29-20)19(14)27)7-8-24(17)11-12-3-4-12/h5-6,12,17,21,26-28H,2-4,7-11H2,1H3/t17-,21+,22+,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102406 (US8536192, I-135) Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:11,TLB:21:20:28:16.17.18| Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.58	-50.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM102406 (US8536192, I-135) Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:11,TLB:21:20:28:16.17.18| Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102403 (US8536192, I-123) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:15,TLB:25:24:32:20.21.22| Show InChI InChI=1S/C28H30N2O8S/c1-37-17-5-7-18(8-6-17)39(35,36)29-26(33)19-13-28(34)21-12-16-4-9-20(31)24-22(16)27(28,25(38-24)23(19)32)10-11-30(21)14-15-2-3-15/h4-9,15,21,25,31-32,34H,2-3,10-14H2,1H3,(H,29,33)/t21-,25+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.68	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503600 (CHEMBL4542825) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)C)=C2O)ccc3O |r,c:30,THB:10:9:17:4.5.6| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,17,21,27-28,30H,3-4,7-11H2,1-2H3,(H,25,29)/t17-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503610 (CHEMBL4516674) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(C)nc(N)nc21)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C23H26N4O3/c1-11-14-9-23(29)16-8-13-4-5-15(28)19-17(13)22(23,6-7-27(16)10-12-2-3-12)20(30-19)18(14)26-21(24)25-11/h4-5,12,16,20,28-29H,2-3,6-10H2,1H3,(H2,24,25,26)/t16-,20+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102401 (US8536192, I-118) Show SMILES COc1ccc(NC(=O)C2=C(O)[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)C2)ccc4O)cn1 |r,c:9,TLB:20:19:27:15.16.17| Show InChI InChI=1S/C27H29N3O6/c1-35-20-7-5-16(12-28-20)29-25(33)17-11-27(34)19-10-15-4-6-18(31)23-21(15)26(27,24(36-23)22(17)32)8-9-30(19)13-14-2-3-14/h4-7,12,14,19,24,31-32,34H,2-3,8-11,13H2,1H3,(H,29,33)/t19-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.29	-49.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503594 (CHEMBL4574150) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccc4cc[nH]c4c1)=C2O)ccc3O |r,c:38,THB:10:9:17:4.5.6| Show InChI InChI=1S/C29H29N3O5/c33-21-6-4-17-11-22-29(36)13-19(27(35)31-18-5-3-16-7-9-30-20(16)12-18)24(34)26-28(29,23(17)25(21)37-26)8-10-32(22)14-15-1-2-15/h3-7,9,12,15,22,26,30,33-34,36H,1-2,8,10-11,13-14H2,(H,31,35)/t22-,26+,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102420 (US8536192, I-286) Show SMILES COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H34N2O6/c1-24(2,13-33-3)27-23(31)16-11-26(32)18-10-15-6-7-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-4-5-14/h6-7,14,16,18,22,29,32H,4-5,8-13H2,1-3H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.46	-49.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102402 (US8536192, I-122) Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NS(=O)(=O)c1cccc(Cl)c1 |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C27H27ClN2O7S/c28-16-2-1-3-17(11-16)38(35,36)29-25(33)18-12-27(34)20-10-15-6-7-19(31)23-21(15)26(27,24(37-23)22(18)32)8-9-30(20)13-14-4-5-14/h1-3,6-7,11,14,20,24,31-32,34H,4-5,8-10,12-13H2,(H,29,33)/t20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102409 (US8536192, I-188) Show SMILES OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C28H28N2O7/c31-19-7-6-15-11-20-28(36)12-18(25(33)29-17-3-1-2-16(10-17)26(34)35)22(32)24-27(28,21(15)23(19)37-24)8-9-30(20)13-14-4-5-14/h1-3,6-7,10,14,18,20,24,31,36H,4-5,8-9,11-13H2,(H,29,33)(H,34,35)/t18?,20-,24+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.01	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503600 (CHEMBL4542825) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)C)=C2O)ccc3O |r,c:30,THB:10:9:17:4.5.6| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,17,21,27-28,30H,3-4,7-11H2,1-2H3,(H,25,29)/t17-,21+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102417 (US8536192, I-283) Show SMILES COCC1(CC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H32N2O6/c1-33-13-24(6-7-24)27-23(31)16-11-26(32)18-10-15-4-5-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-2-3-14/h4-5,14,16,18,22,29,32H,2-3,6-13H2,1H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.73	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102404 (US8536192, I-124) Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NS(=O)(=O)c1ccc(F)cc1 |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C27H27FN2O7S/c28-16-4-6-17(7-5-16)38(35,36)29-25(33)18-12-27(34)20-11-15-3-8-19(31)23-21(15)26(27,24(37-23)22(18)32)9-10-30(20)13-14-1-2-14/h3-8,14,20,24,31-32,34H,1-2,9-13H2,(H,29,33)/t20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90	-48.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102399 (US8536192, I-49) Show SMILES COC(=O)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27| Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,15,17,21,29,33H,4-5,8-12H2,1-3H3,(H,27,31)/t15?,17-,21+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.99	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503612 (CHEMBL4459343) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)OC)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,17,21,29-30,33H,4-5,8-12H2,1-3H3,(H,27,31)/t17-,21+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503607 (CHEMBL4452187) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)N1CCCC1)=C2O)ccc3O |r,c:32,THB:10:9:17:4.5.6| Show InChI InChI=1S/C25H30N2O5/c28-17-6-5-15-11-18-25(31)12-16(23(30)26-8-1-2-9-26)20(29)22-24(25,19(15)21(17)32-22)7-10-27(18)13-14-3-4-14/h5-6,14,18,22,28-29,31H,1-4,7-13H2/t18-,22+,24+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102395 (US8536192, I-10) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13| Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,18,20,24,30,33H,6-7,10-14H2,(H,28,32)/t18?,20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.05	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102405 (US8536192, I-133) Show SMILES COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:13,TLB:23:22:30:18.19.20| Show InChI InChI=1S/C28H34N2O7/c1-36-25(34)26(8-2-3-9-26)29-24(33)17-13-28(35)19-12-16-6-7-18(31)22-20(16)27(28,23(37-22)21(17)32)10-11-30(19)14-15-4-5-15/h6-7,15,19,23,31-32,35H,2-5,8-14H2,1H3,(H,29,33)/t19-,23+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.99	-47.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102396 (US8536192, I-13) Show SMILES CN(Cc1ccccc1)C(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:17.35.16:30.29.28,THB:14:13:17.35.16:30.29.28| Show InChI InChI=1S/C29H32N2O5/c1-30(15-17-5-3-2-4-6-17)27(34)20-14-29(35)22-13-19-9-10-21(32)25-23(19)28(29,26(36-25)24(20)33)11-12-31(22)16-18-7-8-18/h2-6,9-10,18,20,22,26,32,35H,7-8,11-16H2,1H3/t20?,22-,26+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.02	-47.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50503605 (CHEMBL4457877) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccc(cc1)C#N)=C2O)ccc3O |r,c:36,THB:10:9:17:4.5.6| Show InChI InChI=1S/C28H27N3O5/c29-13-15-3-6-18(7-4-15)30-26(34)19-12-28(35)21-11-17-5-8-20(32)24-22(17)27(28,25(36-24)23(19)33)9-10-31(21)14-16-1-2-16/h3-8,16,21,25,32-33,35H,1-2,9-12,14H2,(H,30,34)/t21-,25+,27+,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102393 (US8536192, I-4) Show SMILES CC(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:7:8:12.30.11:25.24.23,THB:9:8:12.30.11:25.24.23| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,15,17,21,27,30H,3-4,7-11H2,1-2H3,(H,25,29)/t15?,17-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.18	-47.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102414 (US8536192, I-243) Show SMILES COc1cc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)ncn1 |r,TLB:9:10:32.14.13:25.27.26,THB:11:10:32.14.13:25.27.26| Show InChI InChI=1S/C26H28N4O6/c1-35-19-9-18(27-12-28-19)29-24(33)15-10-26(34)17-8-14-4-5-16(31)22-20(14)25(26,23(36-22)21(15)32)6-7-30(17)11-13-2-3-13/h4-5,9,12-13,15,17,23,31,34H,2-3,6-8,10-11H2,1H3,(H,27,28,29,33)/t15?,17-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.20	-47.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102400 (US8536192, I-92) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1cccnc1 |r,TLB:22:23:18.4.5:7.13.12,THB:24:23:18.4.5:7.13.12| Show InChI InChI=1S/C26H27N3O5/c30-18-6-5-15-10-19-26(33)11-17(24(32)28-16-2-1-8-27-12-16)21(31)23-25(26,20(15)22(18)34-23)7-9-29(19)13-14-3-4-14/h1-2,5-6,8,12,14,17,19,23,30,33H,3-4,7,9-11,13H2,(H,28,32)/t17?,19-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.23	-47.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102414 (US8536192, I-243) Show SMILES COc1cc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)ncn1 |r,TLB:9:10:32.14.13:25.27.26,THB:11:10:32.14.13:25.27.26| Show InChI InChI=1S/C26H28N4O6/c1-35-19-9-18(27-12-28-19)29-24(33)15-10-26(34)17-8-14-4-5-16(31)22-20(14)25(26,23(36-22)21(15)32)6-7-30(17)11-13-2-3-13/h4-5,9,12-13,15,17,23,31,34H,2-3,6-8,10-11H2,1H3,(H,27,28,29,33)/t15?,17-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.28	-47.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102397 (US8536192, I-30) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)NCCOc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13| Show InChI InChI=1S/C29H32N2O6/c32-21-9-8-18-14-22-29(35)15-20(27(34)30-11-13-36-19-4-2-1-3-5-19)24(33)26-28(29,23(18)25(21)37-26)10-12-31(22)16-17-6-7-17/h1-5,8-9,17,20,22,26,32,35H,6-7,10-16H2,(H,30,34)/t20?,22-,26+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.34	-47.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102421 (US8536192, I-288) Show SMILES COCC(C)(COC)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C27H36N2O7/c1-25(13-34-2,14-35-3)28-24(32)17-11-27(33)19-10-16-6-7-18(30)22-20(16)26(27,23(36-22)21(17)31)8-9-29(19)12-15-4-5-15/h6-7,15,17,19,23,30,33H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,19-,23+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.36	-47.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50278337 (CHEMBL470617 | Naltrexone methiodide) Show SMILES C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |r| Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503602 (CHEMBL4472077) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)NS(C)(=O)=O)=C2O)ccc3O |r,c:37,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H33N3O8S/c1-24(2,23(33)28-38(3,35)36)27-22(32)15-11-26(34)17-10-14-6-7-16(30)20-18(14)25(26,21(37-20)19(15)31)8-9-29(17)12-13-4-5-13/h6-7,13,17,21,30-31,34H,4-5,8-12H2,1-3H3,(H,27,32)(H,28,33)/t17-,21+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102419 (US8536192, I-285) Show SMILES Cc1noc(n1)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,16,18,22,32,35H,4-5,8-12H2,1-3H3,(H,29,34)/t16?,18-,22+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.77	-47.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503608 (CHEMBL4445736) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)c1nc(C)no1)=C2O)ccc3O |r,c:37,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,18,22,32-33,35H,4-5,8-12H2,1-3H3,(H,29,34)/t18-,22+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM102411 (US8536192, I-208) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccc(cn1)[N+]([O-])=O |r,TLB:22:23:18.4.5:13.7.12,THB:24:23:18.4.5:13.7.12| Show InChI InChI=1S/C26H26N4O7/c31-17-5-3-14-9-18-26(34)10-16(24(33)28-19-6-4-15(11-27-19)30(35)36)21(32)23-25(26,20(14)22(17)37-23)7-8-29(18)12-13-1-2-13/h3-6,11,13,16,18,23,31,34H,1-2,7-10,12H2,(H,27,28,33)/t16?,18-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.89	-47.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM102412 (US8536192, I-229) Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36| Show InChI InChI=1S/C32H39N3O8S/c1-4-35(5-2)44(40,41)20-9-11-24(42-3)22(15-20)33-30(38)21-16-32(39)25-14-19-8-10-23(36)28-26(19)31(32,29(43-28)27(21)37)12-13-34(25)17-18-6-7-18/h8-11,15,18,21,25,29,36,39H,4-7,12-14,16-17H2,1-3H3,(H,33,38)/t21?,25-,29+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.90	-47.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503601 (CHEMBL4529950) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccccc1)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,20,24,30-31,33H,6-7,10-14H2,(H,28,32)/t20-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50503609 (CHEMBL4543425) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)Nc1ccccn1)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6| Show InChI InChI=1S/C26H27N3O5/c30-17-7-6-15-11-18-26(33)12-16(24(32)28-19-3-1-2-9-27-19)21(31)23-25(26,20(15)22(17)34-23)8-10-29(18)13-14-4-5-14/h1-3,6-7,9,14,18,23,30-31,33H,4-5,8,10-13H2,(H,27,28,32)/t18-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 29: 73-77 (2019) Article DOI: 10.1016/j.bmcl.2018.11.007 BindingDB Entry DOI: 10.7270/Q2H41VQS
					More data for this Ligand-Target Pair

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